CID 48710

6-azabicyclo(3.2.1)octane, 6-cyclopentyl-1-(m-hydroxyphenyl)-7-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H27NO
SMILES
CC1C2(CCCC(C2)N1C3CCCC3)C4=CC(=CC=C4)O
InChI
InChI=1S/C19H27NO/c1-14-19(15-6-4-10-18(21)12-15)11-5-9-17(13-19)20(14)16-7-2-3-8-16/h4,6,10,12,14,16-17,21H,2-3,5,7-9,11,13H2,1H3
InChIKey
DWUUASDMLDNNMM-UHFFFAOYSA-N
Compound name
3-(6-cyclopentyl-7-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 171.5
[M+Na]+ 308.19848 176.1
[M-H]- 284.20198 177.2
[M+NH4]+ 303.24308 192.1
[M+K]+ 324.17242 170.6
[M+H-H2O]+ 268.20652 164.1
[M+HCOO]- 330.20746 185.6
[M+CH3COO]- 344.22311 181.3
[M+Na-2H]- 306.18393 169.8
[M]+ 285.20871 165.0
[M]- 285.20981 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.